3-phenylpropyl 5-[[(2-nitrophenyl)carbonylamino]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[(2-nitrophenyl)carbonylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[(2-nitrobenzoyl)amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[(2-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[(2-nitrobenzoyl)amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[(2-nitrobenzoyl)amino]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C22H24N4O6S MolecularWeight: 472.51416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NNC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NNC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O6S/c27-19(13-6-14-20(28)32-15-7-10-16-8-2-1-3-9-16)23-22(33)25-24-21(29)17-11-4-5-12-18(17)26(30)31/h1-5,8-9,11-12H,6-7,10,13-15H2,(H,24,29)(H2,23,25,27,33)